1-Chloroestradiol
TL;DR: 1-Chloroestradiol (CAS 95846-28-9) is a chemical compound with molecular formula C18H23ClO2 and molecular weight 306.13867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 1-Chloroestradiol, 1-Chloroestra-1(10),2,4-triene-3,17-diol, 1-Chloroestra-1(10),2,4-triene-3,17beta-diol, (8S,9S,13S,14S,17S)-1-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol, 1-chloro-, (17beta)-
Technical Specifications
| Molecular Formula | C18H23ClO2 |
| Molecular Weight | 306.13867 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.13867 Da |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=CC(=C4)O)Cl |
| InChIKey | CKBZCMHPOSSDAN-PEEYHIECSA-N |
Chemical Property Profile of 1-Chloroestradiol
Property Insights of 1-Chloroestradiol
The XLogP value of 4.6 indicates that 1-Chloroestradiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Chloroestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloroestradiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloroestradiol?
The CAS number of 1-Chloroestradiol is 95846-28-9.
What is the molecular formula of 1-Chloroestradiol?
The molecular formula of 1-Chloroestradiol is C18H23ClO2.
What is the molecular weight of 1-Chloroestradiol?
The molecular weight of 1-Chloroestradiol is 306.13867 g/mol.
Where can I buy 1-Chloroestradiol?
You can request a quote for 1-Chloroestradiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloroestradiol?
Yes, CoreyChem provides custom synthesis services for 1-Chloroestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.